(7-methyl-2-oxidanylidene-chromen-4-yl)methyl 1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylate

Systemtic Name: (7-methyl-2-oxidanylidene-chromen-4-yl)methyl 1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylate Openeye Name: (7-methyl-2-oxo-chromen-4-yl)methyl 1-[5-(trifluoromethyl)-2-pyridyl]piperidine-4-carboxylate CAS Name: 1-[5-(trifluoromethyl)-2-pyridinyl]-4-piperidinecarboxylic acid (7-methyl-2-oxo-1-benzopyran-4-yl)methyl ester IUPAC Name: (7-methyl-2-oxochromen-4-yl)methyl 1-[5-(trifluoromethyl)pyridin-2-yl]piperidine-4-carboxylate Traditional Name: 1-[5-(trifluoromethyl)-2-pyridyl]isonipecotic acid (2-keto-7-methyl-chromen-4-yl)methyl ester Formula: C23H21F3N2O4 MolecularWeight: 446.41905

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3CCN(CC3)C4=NC=C(C=C4)C(F)(F)F

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)COC(=O)C3CCN(CC3)C4=NC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C23H21F3N2O4/c1-14-2-4-18-16(11-21(29)32-19(18)10-14)13-31-22(30)15-6-8-28(9-7-15)20-5-3-17(12-27-20)23(24,25)26/h2-5,10-12,15H,6-9,13H2,1H3